N,3-dimethyl-3-propan-2-ylhexan-1-amine

C11H25N — CID 130453352

IUPACN,3-dimethyl-3-propan-2-ylhexan-1-amine
SMILESCCCC(C)(CCNC)C(C)C
InChIInChI=1S/C11H25N/c1-6-7-11(4,10(2)3)8-9-12-5/h10,12H,6-9H2,1-5H3
InChIKeySKNHUOSXYNXILV-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About N,3-dimethyl-3-propan-2-ylhexan-1-amine

N,3-dimethyl-3-propan-2-ylhexan-1-amine (PubChem CID 130453352) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,3-dimethyl-3-propan-2-ylhexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-propan-2-ylhexan-1-amine
PubChem CID130453352
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,3-dimethyl-3-propan-2-ylhexan-1-amine
SMILESCCCC(C)(CCNC)C(C)C
InChIInChI=1S/C11H25N/c1-6-7-11(4,10(2)3)8-9-12-5/h10,12H,6-9H2,1-5H3
InChIKeySKNHUOSXYNXILV-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
1-N,3-N,3-trimethylhexane-1,3-diamine
CID 123347800
6-methyl-6-propan-2-ylundecane
CID 87930599
3-methyl-3-propylhexan-2-ol
CID 20501676
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
2,5-dimethyl-2-propan-2-yl-N-propylhexan-1-amine
CID 83159399
2-methyl-N-(3-methyl-3-propan-2-yloctyl)propanamide
CID 126626622
3-methyl-3-propylhexane-2-thiol
CID 123142515
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
3,3-difluoro-N,5,5-trimethyloctan-1-amine
CID 123315730
ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-propan-2-ylhexan-1-amine?
The IUPAC name of N,3-dimethyl-3-propan-2-ylhexan-1-amine (CID 130453352) is N,3-dimethyl-3-propan-2-ylhexan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-propan-2-ylhexan-1-amine?
The canonical SMILES for N,3-dimethyl-3-propan-2-ylhexan-1-amine is CCCC(C)(CCNC)C(C)C.
What is the InChIKey of N,3-dimethyl-3-propan-2-ylhexan-1-amine?
The InChIKey is SKNHUOSXYNXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-7-11(4,10(2)3)8-9-12-5/h10,12H,6-9H2,1-5H3.
What are the key properties of N,3-dimethyl-3-propan-2-ylhexan-1-amine?
N,3-dimethyl-3-propan-2-ylhexan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-propan-2-ylhexan-1-amine is sourced from PubChem (CID 130453352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).